CHEMBL1800740
SMILES | CC[C@H]1CN2C(=O)N(Cc3ccccc3)c3nc(-c4cc(C)nn4C)[nH]c3C2=N1 |
InChIKey | WORWRFFHAOPSQM-HNNXBMFYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 389.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pKi | 7.88 | 7.88 | 7.88 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |